Information card for entry 7221803

Structure parameters

• Chemical name: pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-samarium(iii)
• Formula: C6 H10 F18 N3 O17 S6 Sm
• Calculated formula: C6 H10 F18 N3 O17 S6 Sm
• SMILES: [Sm]([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(C(F)(F)F)=NS(=O)(=O)C(F)(F)F)(OS(=O)(C(F)(F)F)=NS(=O)(=O)C(F)(F)F)OS(C(F)(F)F)(=O)=NS(=O)(=O)C(F)(F)F
• Title of publication: Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts
• Authors of publication: Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7142
• a: 12.9489 ± 0.0003 Å
• b: 18.4605 ± 0.0005 Å
• c: 12.9858 ± 0.0003 Å
• α: 90°
• β: 94.507 ± 0.002°
• γ: 90°
• Cell volume: 3094.57 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No